MGF features

## Number of spectrums in file : 5191

Spectrums with the diagnostic ions of interest

## List of diagnostic ions : 204.0866 186.076 168.0655 144.0655 138.0549 126.0549
## Tolerance: 100 ppm

Presence of diagnostic ions according to time

Table

0 : absent 1 : present

Heatmap

## Too much diagnostic ions found to create a heatmap

Visualization

## Number of spectrum with all diagnostic ions : 77 
## 
## 
## Ref: File5131 Spectrum1 scans: 2342 
## Precursor ion MZ value : 509.7386 
## Diagnostic ion(s) - M/Z       : 186.0769 168.0555 168.066 
## Diagnostic ion(s) - Intensity : 29.7717 34.3023 46.263

## Ref: File5131 Spectrum10 scans: 2652 
## Precursor ion MZ value : 565.8073 
## Diagnostic ion(s) - M/Z       : 186.0765 168.0556 168.059 168.0661 
## Diagnostic ion(s) - Intensity : 23.0259 55.4538 27.5014 40.064

## Ref: File5131 Spectrum100 scans: 2785 
## Precursor ion MZ value : 364.1683 
## Diagnostic ion(s) - M/Z       : 138.0663 
## Diagnostic ion(s) - Intensity : 348618

## Ref: File5131 Spectrum1000 scans: 3867 
## Precursor ion MZ value : 347.667 
## Diagnostic ion(s) - M/Z       : 168.077 138.0663 126.055 
## Diagnostic ion(s) - Intensity : 138.646 46.2286 188.731

## Ref: File5131 Spectrum1001 scans: 3869 
## Precursor ion MZ value : 325.6842 
## Diagnostic ion(s) - M/Z       : 168.0773 126.0551 
## Diagnostic ion(s) - Intensity : 176228 7211280

## Ref: File5131 Spectrum1002 scans: 3870 
## Precursor ion MZ value : 316.6797 
## Diagnostic ion(s) - M/Z       : 168.0772 126.055 
## Diagnostic ion(s) - Intensity : 177956 39263.3

## Ref: File5131 Spectrum1004 scans: 3872 
## Precursor ion MZ value : 537.2354 
## Diagnostic ion(s) - M/Z       : 168.0551 138.0661 
## Diagnostic ion(s) - Intensity : 3940.67 4708.56

## Ref: File5131 Spectrum1005 scans: 3873 
## Precursor ion MZ value : 652.7799 
## Diagnostic ion(s) - M/Z       : 186.0875 168.0768 126.0548 
## Diagnostic ion(s) - Intensity : 3623.17 3051.61 8789.2

## Ref: File5131 Spectrum1006 scans: 3874 
## Precursor ion MZ value : 481.2529 
## Diagnostic ion(s) - M/Z       : 138.0549 138.0663 126.0549 
## Diagnostic ion(s) - Intensity : 1004.6 427.713 4501.07

## Ref: File5131 Spectrum1007 scans: 3875 
## Precursor ion MZ value : 406.1342 
## Diagnostic ion(s) - M/Z       : 138.066 
## Diagnostic ion(s) - Intensity : 621.211

## Ref: File5131 Spectrum1008 scans: 3876 
## Precursor ion MZ value : 544.7593 
## Diagnostic ion(s) - M/Z       : 204.0769 168.0766 138.0661 126.0661 
## Diagnostic ion(s) - Intensity : 367.565 208.282 632.238 305.645

## Ref: File5131 Spectrum1010 scans: 3878 
## Precursor ion MZ value : 568.7521 
## Diagnostic ion(s) - M/Z       : 168.0765 126.0545 
## Diagnostic ion(s) - Intensity : 134.93 62.4676

## Ref: File5131 Spectrum1011 scans: 3880 
## Precursor ion MZ value : 423.228 
## Diagnostic ion(s) - M/Z       : 168.0656 144.0652 138.0549 126.0547 
## Diagnostic ion(s) - Intensity : 201.041 174.36 788.766 149.067

## Ref: File5131 Spectrum1012 scans: 3881 
## Precursor ion MZ value : 514.28 
## Diagnostic ion(s) - M/Z       : 186.0744 
## Diagnostic ion(s) - Intensity : 372.516

## Ref: File5131 Spectrum1013 scans: 3882 
## Precursor ion MZ value : 308.1663 
## Diagnostic ion(s) - M/Z       : 168.0769 138.0548 138.0662 126.0549 126.066 
## Diagnostic ion(s) - Intensity : 2080.96 179.986 408.62 933.965 133.895

## Ref: File5131 Spectrum1014 scans: 3883 
## Precursor ion MZ value : 337.6637 
## Diagnostic ion(s) - M/Z       : 168.0769 138.0662 
## Diagnostic ion(s) - Intensity : 554.67 115.757

## Ref: File5131 Spectrum1015 scans: 3884 
## Precursor ion MZ value : 399.711 
## Diagnostic ion(s) - M/Z       : 186.087 168.077 138.0663 
## Diagnostic ion(s) - Intensity : 64.896 281.105 71.8102

## Ref: File5131 Spectrum1016 scans: 3885 
## Precursor ion MZ value : 539.7562 
## Diagnostic ion(s) - M/Z       : 138.066 
## Diagnostic ion(s) - Intensity : 361.886

## Ref: File5131 Spectrum1017 scans: 3887 
## Precursor ion MZ value : 724.3005 
## Diagnostic ion(s) - M/Z       : 138.0548 126.0549 
## Diagnostic ion(s) - Intensity : 266.767 919.61

## Ref: File5131 Spectrum1018 scans: 3888 
## Precursor ion MZ value : 677.2877 
## Diagnostic ion(s) - M/Z       : 126.0549 
## Diagnostic ion(s) - Intensity : 116.032

## Ref: File5131 Spectrum1019 scans: 3889 
## Precursor ion MZ value : 383.6982 
## Diagnostic ion(s) - M/Z       : 168.0768 138.0665 126.0551 
## Diagnostic ion(s) - Intensity : 134.792 113.845 99.973

## Ref: File5131 Spectrum102 scans: 2787 
## Precursor ion MZ value : 814.3645 
## Diagnostic ion(s) - M/Z       : 138.066 
## Diagnostic ion(s) - Intensity : 838.232

## Ref: File5131 Spectrum1020 scans: 3890 
## Precursor ion MZ value : 467.7315 
## Diagnostic ion(s) - M/Z       : 138.0661 
## Diagnostic ion(s) - Intensity : 175.007

## Ref: File5131 Spectrum1021 scans: 3891 
## Precursor ion MZ value : 492.9909 
## Diagnostic ion(s) - M/Z       : 138.0663 
## Diagnostic ion(s) - Intensity : 324.479

## Ref: File5131 Spectrum1022 scans: 3892 
## Precursor ion MZ value : 368.1855 
## Diagnostic ion(s) - M/Z       : 138.066 
## Diagnostic ion(s) - Intensity : 107.96

## Ref: File5131 Spectrum1023 scans: 3894 
## Precursor ion MZ value : 364.1689 
## Diagnostic ion(s) - M/Z       : 204.0771 186.0917 138.0662 
## Diagnostic ion(s) - Intensity : 485.098 340.439 370.016

## Ref: File5131 Spectrum1025 scans: 3896 
## Precursor ion MZ value : 551.7487 
## Diagnostic ion(s) - M/Z       : 168.0554 138.0662 
## Diagnostic ion(s) - Intensity : 139.191 302.519

## Ref: File5131 Spectrum1026 scans: 3898 
## Precursor ion MZ value : 545.7486 
## Diagnostic ion(s) - M/Z       : 204.077 204.1056 138.0662 126.0663 
## Diagnostic ion(s) - Intensity : 368.739 94.7741 945.858 184.3

## Ref: File5131 Spectrum1027 scans: 3899 
## Precursor ion MZ value : 623.3057 
## Diagnostic ion(s) - M/Z       : 138.0551 126.0548 
## Diagnostic ion(s) - Intensity : 131.983 112.21

## Ref: File5131 Spectrum1028 scans: 3900 
## Precursor ion MZ value : 308.1664 
## Diagnostic ion(s) - M/Z       : 168.0769 144.0653 138.055 138.0661 126.0549 126.0661 
## Diagnostic ion(s) - Intensity : 1951.45 140.597 128.554 251.188 1113.65 129.16

## Ref: File5131 Spectrum1029 scans: 3901 
## Precursor ion MZ value : 514.2796 
## Diagnostic ion(s) - M/Z       : 186.0682 186.0746 138.0662 126.0551 
## Diagnostic ion(s) - Intensity : 99.0237 2396.83 127.783 107.063

## Ref: File5131 Spectrum1030 scans: 3902 
## Precursor ion MZ value : 337.6633 
## Diagnostic ion(s) - M/Z       : 168.0769 138.0661 
## Diagnostic ion(s) - Intensity : 546.26 209.457

## Ref: File5131 Spectrum1031 scans: 3903 
## Precursor ion MZ value : 387.7216 
## Diagnostic ion(s) - M/Z       : 186.0918 
## Diagnostic ion(s) - Intensity : 93.5267

## Ref: File5131 Spectrum1032 scans: 3904 
## Precursor ion MZ value : 399.7107 
## Diagnostic ion(s) - M/Z       : 186.0745 168.077 138.0662 
## Diagnostic ion(s) - Intensity : 61.0078 246.829 76.3132

## Ref: File5131 Spectrum1033 scans: 3905 
## Precursor ion MZ value : 629.2884 
## Diagnostic ion(s) - M/Z       : 168.0661 138.0549 126.055 
## Diagnostic ion(s) - Intensity : 49.1699 83.085 410.338

## Ref: File5131 Spectrum1034 scans: 3906 
## Precursor ion MZ value : 568.7509 
## Diagnostic ion(s) - M/Z       : 168.077 126.0548 
## Diagnostic ion(s) - Intensity : 172.766 41.8667

## Ref: File5131 Spectrum1035 scans: 3908 
## Precursor ion MZ value : 344.6581 
## Diagnostic ion(s) - M/Z       : 168.0769 138.0661 
## Diagnostic ion(s) - Intensity : 881.636 738.048

## Ref: File5131 Spectrum1036 scans: 3909 
## Precursor ion MZ value : 512.2483 
## Diagnostic ion(s) - M/Z       : 186.0745 126.0549 
## Diagnostic ion(s) - Intensity : 1673.67 229.298

## Ref: File5131 Spectrum1037 scans: 3910 
## Precursor ion MZ value : 358.1822 
## Diagnostic ion(s) - M/Z       : 186.0745 138.0661 
## Diagnostic ion(s) - Intensity : 362.421 364.414

## Ref: File5131 Spectrum1039 scans: 3912 
## Precursor ion MZ value : 660.7774 
## Diagnostic ion(s) - M/Z       : 126.0549 
## Diagnostic ion(s) - Intensity : 640.367

## Ref: File5131 Spectrum104 scans: 2789 
## Precursor ion MZ value : 528.231 
## Diagnostic ion(s) - M/Z       : 138.066 
## Diagnostic ion(s) - Intensity : 877.545

## Ref: File5131 Spectrum1040 scans: 3913 
## Precursor ion MZ value : 681.2907 
## Diagnostic ion(s) - M/Z       : 138.0551 126.055 
## Diagnostic ion(s) - Intensity : 126.78 362.655

## Ref: File5131 Spectrum1041 scans: 3914 
## Precursor ion MZ value : 636.65 
## Diagnostic ion(s) - M/Z       : 204.1064 138.0549 126.0548 
## Diagnostic ion(s) - Intensity : 210.527 103.655 122.985

## Ref: File5131 Spectrum1042 scans: 3916 
## Precursor ion MZ value : 384.11 
## Diagnostic ion(s) - M/Z       : 186.0747 186.0916 168.0768 138.0661 
## Diagnostic ion(s) - Intensity : 560.669 2271.81 704.301 2153.02

## Ref: File5131 Spectrum1043 scans: 3917 
## Precursor ion MZ value : 591.8215 
## Diagnostic ion(s) - M/Z       : 168.0658 138.0662 
## Diagnostic ion(s) - Intensity : 460.4 368.489

## Ref: File5131 Spectrum1045 scans: 3919 
## Precursor ion MZ value : 551.7958 
## Diagnostic ion(s) - M/Z       : 168.0551 138.0662 126.0663 
## Diagnostic ion(s) - Intensity : 122.086 221.947 57.6121

## Ref: File5131 Spectrum1046 scans: 3920 
## Precursor ion MZ value : 645.2833 
## Diagnostic ion(s) - M/Z       : 186.0876 138.055 126.055 
## Diagnostic ion(s) - Intensity : 859.57 167.618 61.185

## Ref: File5131 Spectrum1047 scans: 3921 
## Precursor ion MZ value : 677.2887 
## Diagnostic ion(s) - M/Z       : 126.0551 
## Diagnostic ion(s) - Intensity : 44.1235

## Ref: File5131 Spectrum1048 scans: 3922 
## Precursor ion MZ value : 561.8112 
## Diagnostic ion(s) - M/Z       : 144.0768 138.0662 
## Diagnostic ion(s) - Intensity : 52.751 48.9435

## Ref: File5131 Spectrum1049 scans: 3924 
## Precursor ion MZ value : 483.2504 
## Diagnostic ion(s) - M/Z       : 204.0981 186.0874 138.0548 126.0548 
## Diagnostic ion(s) - Intensity : 1871.39 1117.69 396.856 2238.24

## Ref: File5131 Spectrum105 scans: 2790 
## Precursor ion MZ value : 557.728 
## Diagnostic ion(s) - M/Z       : 168.0744 138.0661 
## Diagnostic ion(s) - Intensity : 309.325 708.938

## Ref: File5131 Spectrum1050 scans: 3925 
## Precursor ion MZ value : 408.8706 
## Diagnostic ion(s) - M/Z       : 126.0548 
## Diagnostic ion(s) - Intensity : 887.928

## Ref: File5131 Spectrum1052 scans: 3927 
## Precursor ion MZ value : 477.7389 
## Diagnostic ion(s) - M/Z       : 186.0742 
## Diagnostic ion(s) - Intensity : 295.65

## Ref: File5131 Spectrum1054 scans: 3929 
## Precursor ion MZ value : 516.238 
## Diagnostic ion(s) - M/Z       : 138.0662 
## Diagnostic ion(s) - Intensity : 777.619

## Ref: File5131 Spectrum1055 scans: 3930 
## Precursor ion MZ value : 337.6633 
## Diagnostic ion(s) - M/Z       : 186.0872 168.077 138.0662 
## Diagnostic ion(s) - Intensity : 81.2374 457.926 197.154

## Ref: File5131 Spectrum1056 scans: 3931 
## Precursor ion MZ value : 308.1668 
## Diagnostic ion(s) - M/Z       : 168.077 138.055 138.0662 126.0549 126.0663 
## Diagnostic ion(s) - Intensity : 1301.07 99.9585 374.079 689.817 64.981

## Ref: File5131 Spectrum1057 scans: 3932 
## Precursor ion MZ value : 539.7563 
## Diagnostic ion(s) - M/Z       : 168.0552 138.0661 
## Diagnostic ion(s) - Intensity : 194.93 350.759

## Ref: File5131 Spectrum1058 scans: 3933 
## Precursor ion MZ value : 394.5475 
## Diagnostic ion(s) - M/Z       : 138.0663 
## Diagnostic ion(s) - Intensity : 146.885

## Ref: File5131 Spectrum1059 scans: 3935 
## Precursor ion MZ value : 354.1956 
## Diagnostic ion(s) - M/Z       : 168.0768 126.0548 
## Diagnostic ion(s) - Intensity : 629.638 22321.1

## Ref: File5131 Spectrum1060 scans: 3936 
## Precursor ion MZ value : 350.7214 
## Diagnostic ion(s) - M/Z       : 144.0767 
## Diagnostic ion(s) - Intensity : 4024.74

## Ref: File5131 Spectrum1061 scans: 3937 
## Precursor ion MZ value : 511.7581 
## Diagnostic ion(s) - M/Z       : 144.0655 138.066 126.0549 
## Diagnostic ion(s) - Intensity : 691.958 209.751 714.565

## Ref: File5131 Spectrum1062 scans: 3938 
## Precursor ion MZ value : 368.1807 
## Diagnostic ion(s) - M/Z       : 204.0774 186.0915 138.0661 
## Diagnostic ion(s) - Intensity : 311.632 849.796 689.217

## Ref: File5131 Spectrum1063 scans: 3939 
## Precursor ion MZ value : 668.7753 
## Diagnostic ion(s) - M/Z       : 126.0549 
## Diagnostic ion(s) - Intensity : 480.527

## Ref: File5131 Spectrum1064 scans: 3940 
## Precursor ion MZ value : 612.802 
## Diagnostic ion(s) - M/Z       : 168.0551 168.0587 168.0659 126.0549 
## Diagnostic ion(s) - Intensity : 859.905 280.714 174.191 758.072

## Ref: File5131 Spectrum1065 scans: 3941 
## Precursor ion MZ value : 570.817 
## Diagnostic ion(s) - M/Z       : 186.0763 168.0657 138.0663 
## Diagnostic ion(s) - Intensity : 90.9868 94.4125 85.9283

## Ref: File5131 Spectrum1066 scans: 3942 
## Precursor ion MZ value : 309.1746 
## Diagnostic ion(s) - M/Z       : 168.077 138.055 138.0663 126.055 
## Diagnostic ion(s) - Intensity : 893.574 117.514 469.489 548.025

## Ref: File5131 Spectrum1067 scans: 3943 
## Precursor ion MZ value : 347.6666 
## Diagnostic ion(s) - M/Z       : 204.1062 168.077 138.0663 126.0549 
## Diagnostic ion(s) - Intensity : 102.826 189.243 196.004 119.865

## Ref: File5131 Spectrum1068 scans: 3944 
## Precursor ion MZ value : 565.7463 
## Diagnostic ion(s) - M/Z       : 204.077 204.1068 168.077 138.0662 
## Diagnostic ion(s) - Intensity : 75.4177 44.8635 1237.28 310.477

## Ref: File5131 Spectrum1069 scans: 3946 
## Precursor ion MZ value : 608.6976 
## Diagnostic ion(s) - M/Z       : 138.0661 
## Diagnostic ion(s) - Intensity : 1602.91

## Ref: File5131 Spectrum107 scans: 2792 
## Precursor ion MZ value : 581.8076 
## Diagnostic ion(s) - M/Z       : 138.055 138.066 
## Diagnostic ion(s) - Intensity : 371.556 85.3421

## Ref: File5131 Spectrum1070 scans: 3947 
## Precursor ion MZ value : 363.5091 
## Diagnostic ion(s) - M/Z       : 186.0915 138.0663 
## Diagnostic ion(s) - Intensity : 362.895 490.581

## Ref: File5131 Spectrum1071 scans: 3948 
## Precursor ion MZ value : 414.2114 
## Diagnostic ion(s) - M/Z       : 204.0772 138.0548 138.0662 
## Diagnostic ion(s) - Intensity : 1635.98 85.6819 250.412

## Ref: File5131 Spectrum1072 scans: 3949 
## Precursor ion MZ value : 561.8112 
## Diagnostic ion(s) - M/Z       : 138.0549 138.0662 126.0663 
## Diagnostic ion(s) - Intensity : 53.5443 77.8917 51.9279

## Ref: File5131 Spectrum1073 scans: 3950 
## Precursor ion MZ value : 557.767 
## Diagnostic ion(s) - M/Z       : 204.077 138.0662 126.0551 
## Diagnostic ion(s) - Intensity : 48.5205 141.971 72.5034

## Ref: File5131 Spectrum1074 scans: 3952 
## Precursor ion MZ value : 535.7541 
## Diagnostic ion(s) - M/Z       : 204.0775 138.066 
## Diagnostic ion(s) - Intensity : 1619.5 2952.51

## Ref: File5131 Spectrum1075 scans: 3953 
## Precursor ion MZ value : 344.6582 
## Diagnostic ion(s) - M/Z       : 168.0768 138.0662 
## Diagnostic ion(s) - Intensity : 1204.25 1126.72

## Ref: File5131 Spectrum1076 scans: 3954 
## Precursor ion MZ value : 384.7723 
## Diagnostic ion(s) - M/Z       : 186.0744 186.0916 138.0662 
## Diagnostic ion(s) - Intensity : 972.582 596.087 511.253